basic_info |
|
| Product_Name: | 咖啡因苯甲酸盐 |
| CAS: | 5743-17-9 |
| 中文同义词: | 咖啡因苯甲酸盐 |
| EnglishSynonyms: | CAFFEINE BENZOATE |
| pro_mdlNumber: | MFCD07783181 |
| pro_acceptors: | 6 |
| pro_donors: | 0 |
| pro_smile: | Cn1cnc2c1c(=O)n(c(=O)n2C)C.c1ccc(cc1)C(=O)O |
| InChi: | InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9) |
| InChiKey: | InChIKey=VXXKVQICUHMECR-UHFFFAOYSA-N |
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